smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(CCN(CCO)CCO)c2cc1Cl	ZINC000001722914	570270779	/nfs/dbraw/zinc/27/07/79/570270779.db2.gz	RJURBGYVDMBORN-UHFFFAOYSA-N	-1	1	393.831	-0.167	50	5		GBBAMM
COC(CN1CC2(Cc3cc([N+](=O)[O-])ccc31)C(=O)[N-]C(=O)NC2=O)OC	ZINC000009187477	230871165	/nfs/dbraw/zinc/87/11/65/230871165.db2.gz	LYYJYTOKEOEJDM-UHFFFAOYSA-N	-1	1	378.341	-0.071	50	5		GBBAMM
CC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)[N-]C(=O)NC3=O)[C@H]2C1	ZINC000017014946	570923616	/nfs/dbraw/zinc/92/36/16/570923616.db2.gz	RWCHZWOBRLOIRS-CYBMUJFWSA-N	-1	1	387.352	-0.460	50	5		GBBAMM
CC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)[N-]C(=O)NC3=O)[C@@H]2C1	ZINC000018179051	221388646	/nfs/dbraw/zinc/38/86/46/221388646.db2.gz	RWCHZWOBRLOIRS-ZDUSSCGKSA-N	-1	1	387.352	-0.460	50	5		GBBAMM
Cc1cc2c(cc1Cl)nc1c(=O)[n-]c(=O)nc-1n2CCN(CCO)CCO	ZINC000043214973	212043165	/nfs/dbraw/zinc/04/31/65/212043165.db2.gz	WWJJEMUYRDDKCN-UHFFFAOYSA-N	-1	1	393.831	-0.167	50	5		GBBAMM
O=C1N=C2OC3(C(=O)[N-]C(=O)NC3=O)[C@H](c3ccc([N+](=O)[O-])cc3)C2C(=O)N1	ZINC000263587043	570928611	/nfs/dbraw/zinc/92/86/11/570928611.db2.gz	BJDQUZSNALIRGM-MRVPVSSYSA-N	-1	1	387.264	-0.575	50	5		GBBAMM
O=C1N=C2OC3(C(=O)[N-]C(=O)NC3=O)[C@@H](c3ccc([N+](=O)[O-])cc3)C2C(=O)N1	ZINC000263587044	206287234	/nfs/dbraw/zinc/28/72/34/206287234.db2.gz	BJDQUZSNALIRGM-QMMMGPOBSA-N	-1	1	387.264	-0.575	50	5		GBBAMM